General Information of the Compound
| Compound ID |
CP0508769
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| Compound Name |
(R)-2-(3-Phenoxy-benzoyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [4-(acetyl-pentyl-amino)-phenyl]-amide
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| Structure |
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| Formula |
C36H37N3O4
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| Molecular Weight |
575.709
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| Canonical SMILES |
CCCCCN(C(C)=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2cccc(Oc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C36H37N3O4/c1-3-4-10-22-38(26(2)40)31-20-18-30(19-21-31)37-35(41)34-24-27-12-8-9-13-29(27)25-39(34)36(42)28-14-11-17-33(23-28)43-32-15-6-5-7-16-32/h5-9,11-21,23,34H,3-4,10,22,24-25H2,1-2H3,(H,37,41)/t34-/m1/s1
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| InChIKey |
VDXRIYLWEMFZLC-UUWRZZSWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound